N-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide

C24H19F4N3O4 — CID 55532368

IUPACN-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc1F
InChIInChI=1S/C24H19F4N3O4/c1-14(32)29-21-12-18(7-10-20(21)25)31-23(34)15-5-8-19(9-6-15)35-13-22(33)30-17-4-2-3-16(11-17)24(26,27)28/h2-12H,13H2,1H3,(H,29,32)(H,30,33)(H,31,34)
InChIKeyGSUGATLZRLWQIP-UHFFFAOYSA-N
MW489.43 g/mol
LogP5.07
Rot. Bonds7

About N-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide

N-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide (PubChem CID 55532368) has the molecular formula C24H19F4N3O4 and a molecular weight of 489.43 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
PubChem CID55532368
Molecular FormulaC24H19F4N3O4
Molecular Weight489.43 g/mol
Exact Mass489.13
IUPAC NameN-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc1F
InChIInChI=1S/C24H19F4N3O4/c1-14(32)29-21-12-18(7-10-20(21)25)31-23(34)15-5-8-19(9-6-15)35-13-22(33)30-17-4-2-3-16(11-17)24(26,27)28/h2-12H,13H2,1H3,(H,29,32)(H,30,33)(H,31,34)
InChIKeyGSUGATLZRLWQIP-UHFFFAOYSA-N
XLogP5.07
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.43
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639192
N-(3-chloro-4-methoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1191704
N-(2,5-dimethoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55345310
3-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167940
N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide
CID 46632768
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoate
CID 2407813
N-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55800391
4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 166195280
N-(2-ethyl-6-methylphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 112762733
3-[[2-(4-cyanophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16552434
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55564171
3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167723

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide (CID 55532368) is N-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide is CC(=O)Nc1cc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The InChIKey is GSUGATLZRLWQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O4/c1-14(32)29-21-12-18(7-10-20(21)25)31-23(34)15-5-8-19(9-6-15)35-13-22(33)30-17-4-2-3-16(11-17)24(26,27)28/h2-12H,13H2,1H3,(H,29,32)(H,30,33)(H,31,34).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
N-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide has a molecular weight of 489.43 g/mol, XLogP of 5.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide is sourced from PubChem (CID 55532368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).